SCHEMBL7934458

SCHEMBL7934458

Oc1cc(C=Cc2ccccc2)c(C=Cc2ccccc2)c(C=Cc2ccccc2)c1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ TRPA1 O75762 1/20 0.46
▸ BCL2 P10415 1/20 0.40
▸ BCL2L1 Q07817 1/20 0.40
▸ IDH1 O75874 1/20 0.38
▸ PPARG P37231 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ AHR P35869 1/20 0.37
▸ ALOX5 P09917 3/20 0.37
▸ PTGS2 P35354 2/20 0.37
▸ TTR P02766 1/20 0.37
▸ PTGS1 P23219 1/20 0.37
▸ PTPN1 P18031 1/20 0.36
▸ HNF4A P41235 1/20 0.36
▸ TUBB1 Q9H4B7 1/20 0.36
▸ CYP19A1 P11511 2/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5680920 0.79 TRPA1 (0.57) TRPA1AHRALOX5PTGS2TTR
SCHEMBL5680917 0.79 TRPA1 (0.57) TRPA1AHRALOX5PTGS2TTR
SCHEMBL6722628 0.73 TRPA1 (0.50) TRPA1AHRALOX5PTGS2TTR
SCHEMBL17080305 0.72 PTPN1 (0.49) TRPA1TTRPTPN1HNF4ACYP19A1
SCHEMBL27748162 0.72 CYP1A2 (0.53) PTGS2PTGS1PTPN1CYP19A1CYP1A1
SCHEMBL13339166 0.70 TRPA1 (0.65) TRPA1AHRALOX5PTGS2TTR
SCHEMBL41526 0.70 TRPA1 (0.59) TRPA1AHRALOX5PTGS2TTR
SCHEMBL41525 0.70 TRPA1 (0.59) TRPA1AHRALOX5PTGS2TTR
SCHEMBL29360472 0.70 TRPA1 (0.59) TRPA1AHRALOX5PTGS2TTR
SCHEMBL29528293 0.68 TRPA1 (0.57) TRPA1AHRALOX5PTGS2TTR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180566-B1 CONCENTRATED SUSPENSION CONTAINING ORGANOPHOSPHORUS HERBICIDE, ELECTROLYTE, AND SURFACTANT KVK AGRO A/S (DK) 2001-01-30 — — US disclosed
EP-0639047-B1 HERBICIDAL COMPOSITIONS KVK AGRO AS (DK) 1999-10-06 — — EP disclosed
US-5795847-A Herbicide preparation, a process for producing it and an activating additive for application therewith KVK AGRO A/S (DK) 1998-08-18 — — US disclosed
EP-0688165-B1 A HERBICIDE PREPARATION, PROCESS FOR PRODUCING IT AND AN ACTIVATING ADDITIVE FOR APPLICATION THEREWITH KVK AGRO AS (DK) 1998-06-17 — — EP disclosed
EP-0688165-A1 A HERBICIDE PREPARATION, PROCESS FOR PRODUCING IT AND AN ACTIVATING ADDITIVE FOR APPLICATION THEREWITH KVK AGRO A/S (DK) 1995-12-27 — — EP disclosed
EP-0639047-A1 HERBICIDAL COMPOSITIONS KVK AGRO A/S (DK) 1995-02-22 — — EP disclosed
WO-1994019941-A1 A HERBICIDE PREPARATION, A PROCESS FOR PRODUCING IT AND AN ACTIVATING ADDITIVE FOR APPLICATION THEREWITH KVK AGRO A/S (DK) 1994-09-15 — — WO disclosed
WO-1992009195-A1 HERBICIDAL COMPOSITIONS KVK AGRO A/S (DK) 1992-06-11 — — WO disclosed
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